SCHEMBL2494368

SCHEMBL2494368

O=[N+]([O-])c1cc(F)ccc1-c1cccc(Cl)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
ATM Q13315 1/20 0.45
HSPB1 P04792 1/20 0.44
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.38
TSHR P16473 2/20 0.38
PDE7A Q13946 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
S100A4 P26447 1/20 0.37
KCNMA1 Q12791 1/20 0.36
USP7 Q93009 1/20 0.36
USP47 Q96K76 1/20 0.36
P2RX7 Q99572 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2502447 0.88 TDP1 (0.49) TDP1ATMHSPB1ALDH1A1HTT
SCHEMBL27756443 0.88 TDP1 (0.47) TDP1ATMHSPB1ALDH1A1HTT
SCHEMBL2501212 0.84 MAPK1 (0.51) TDP1ALDH1A1SMN1; SMN2L3MBTL1HPGD
SCHEMBL29462665 0.82 ATM (0.63) TDP1ATMHSPB1ALDH1A1MAPK1
SCHEMBL2495365 0.78 ATM (0.51) TDP1ATMHSPB1ALDH1A1SMN1; SMN2
SCHEMBL15383933 0.78 TDP1 (0.55) TDP1ATMHSPB1ALDH1A1HPGD
SCHEMBL27735860 0.75 TDP1 (0.51) TDP1ATMHSPB1ALDH1A1HTT
SCHEMBL2501193 0.75 MAPK1 (0.56) TDP1ALDH1A1L3MBTL1HPGDMAPK1
SCHEMBL2498443 0.75 S100A4 (0.50) TDP1HSPB1ALDH1A1HPGDMAPK1
SCHEMBL687212 0.75 TDP1 (0.59) TDP1ATMALDH1A1HTTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030527-B2 Process for preparing substituted biphenyls BASF SE (DE) 2011-10-04 US disclosed
US-20100256418-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS SMIDT SEBASTIAN PEER 2010-10-07 US disclosed
US-7709684-B2 Process for preparing substituted biphenyls BASF SE (DE) 2010-05-04 US disclosed
EP-2029519-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS BASF SE (DE) 2009-03-04 EP disclosed
US-20090005597-A1 Process for Preparing Substituted Biphenyls BASF SE (DE) 2009-01-01 US disclosed
WO-2007138089-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS BASF SE (DE) 2007-12-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100256418-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS CBR3, HRH3, CBR1 TDP1 1492/4885ATM 4132/4885HSPB1 2390/4885
US-20090005597-A1 Process for Preparing Substituted Biphenyls CBR3, HRH3, CBR1 TDP1 1355/4885ATM 3809/4885HSPB1 2638/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.